SCHEMBL2355481

SCHEMBL2355481

OC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.59
HSD17B10 Q99714 4/20 0.59
CYP2C19 P33261 3/20 0.59
HPGD P15428 3/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2D6 P10635 1/20 0.59
HIF1A Q16665 1/20 0.59
CFTR P13569 1/20 0.53
GOPC Q9HD26 1/20 0.53
KIF11 P52732 1/20 0.44
ACP3 P15309 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP2A6 P11509 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25710684 0.96 HSD17B10 (0.65) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL29167170 0.87 CYP1A2 (0.48) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL13776777 0.85 CYP2C19 (0.53) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL9806370 0.80 CYP2C19 (0.56) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL19130800 0.80 CYP2C19 (0.56) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL11591149 0.79 CRHBP (0.53) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL5012463 0.78 ACP3 (0.46) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL28108200 0.78 ACP3 (0.46) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL29503952 0.78 CYP1A2 (0.48) CYP1A2HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL1561798 0.78 CYP1A2 (0.48) CYP1A2HSD17B10CYP2C19HPGDCYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268353-B1 PYRAZOLYL DERIVATIVES AS PEST CONTROL AGENTS BAYER ANIMAL HEALTH GMBH (DE) 2020-09-09 EP disclosed
EP-3157913-B1 PYRAZOLYL TRIAZOLYL PYRIDINES AS PESTICIDE BAYER ANIMAL HEALTH GMBH (DE) 2019-04-17 EP disclosed
EP-3089972-B1 NOVEL PYRAZOLE HETEROARYLAMIDES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-16 EP disclosed
EP-3268353-A1 PYRAZOLYL-DERIVATIVES AS PEST CONTROL AGENTS Bayer Animal Health GmbH (DE) 2018-01-17 EP disclosed
EP-2953942-B1 HALOGEN-SUBSTITUTED PYRAZOLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-25 EP disclosed
EP-2794573-B1 NOVEL INSECTICIDAL AROMATIC AMIDES BAYER IP GMBH (DE) 2017-08-30 EP disclosed
EP-2964631-B1 HALOGEN-SUBSTITUTED N-[3-(1H-PYRAZOL-4-YL)PHENYLMETHYL]-SULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES FOR USE IN CROP PROTECTION IN VETERINARY MEDICINE AND IN MATERIAL PROTECTION BAYER ANIMAL HEALTH GMBH (DE) 2017-08-30 EP disclosed
EP-3157913-A1 PYRAZOLYL-TRIAZOLYL-PYRIDINES AS PEST-CONTROL AGENTS Bayer Animal Health GmbH (DE) 2017-04-26 EP disclosed
EP-3126353-A1 NOVEL 3-[(PYRAZOL-5-YL)-HETEROARYL]-BENZAMIDE DERIVATIVES AND USE THEREOF AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-02-08 EP disclosed
EP-2964632-B1 HALOGEN SUBSTITUTED 1H-PYRAZOLE DERIVATIVES AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2016-12-14 EP disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0801048-A1 Process for producing benzhydrols K I CHEMICAL INDUSTRY CO., LTD. (JP) 1997-10-15 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed